2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine

C11H12Cl3N3 — CID 139200240

IUPAC2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(C(Cl)(Cl)Cl)n2nc(C)cc2n1
InChIInChI=1S/C11H12Cl3N3/c1-3-4-8-6-9(11(12,13)14)17-10(15-8)5-7(2)16-17/h5-6H,3-4H2,1-2H3
InChIKeyDDBODPXWRWWDMO-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.82
Rot. Bonds2

About 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine

2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 139200240) has the molecular formula C11H12Cl3N3 and a molecular weight of 292.60 g/mol. Its IUPAC name is 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID139200240
Molecular FormulaC11H12Cl3N3
Molecular Weight292.60 g/mol
Exact Mass291.01
IUPAC Name2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(C(Cl)(Cl)Cl)n2nc(C)cc2n1
InChIInChI=1S/C11H12Cl3N3/c1-3-4-8-6-9(11(12,13)14)17-10(15-8)5-7(2)16-17/h5-6H,3-4H2,1-2H3
InChIKeyDDBODPXWRWWDMO-UHFFFAOYSA-N
XLogP3.82
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine (CID 139200240) is 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine is CCCc1cc(C(Cl)(Cl)Cl)n2nc(C)cc2n1.
What is the InChIKey of 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DDBODPXWRWWDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3N3/c1-3-4-8-6-9(11(12,13)14)17-10(15-8)5-7(2)16-17/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine?
2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 292.60 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-7-(trichloromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 139200240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).